[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate

C17H25N3O5S — CID 87317440

IUPAC[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nc(C)cs1)C1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H25N3O5S/c1-10-9-26-14(18-10)19-13(22)12(24-11(2)21)17(7-6-8-17)20-15(23)25-16(3,4)5/h9,12H,6-8H2,1-5H3,(H,20,23)(H,18,19,22)
InChIKeyRBNCWHTVHWZFGY-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.77
Rot. Bonds5

About [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate

[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate (PubChem CID 87317440) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate
PubChem CID87317440
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nc(C)cs1)C1(NC(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C17H25N3O5S/c1-10-9-26-14(18-10)19-13(22)12(24-11(2)21)17(7-6-8-17)20-15(23)25-16(3,4)5/h9,12H,6-8H2,1-5H3,(H,20,23)(H,18,19,22)
InChIKeyRBNCWHTVHWZFGY-UHFFFAOYSA-N
XLogP2.77
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate?
The IUPAC name of [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate (CID 87317440) is [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate.
What is the SMILES notation for [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate?
The canonical SMILES for [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate is CC(=O)OC(C(=O)Nc1nc(C)cs1)C1(NC(=O)OC(C)(C)C)CCC1.
What is the InChIKey of [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate?
The InChIKey is RBNCWHTVHWZFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-10-9-26-14(18-10)19-13(22)12(24-11(2)21)17(7-6-8-17)20-15(23)25-16(3,4)5/h9,12H,6-8H2,1-5H3,(H,20,23)(H,18,19,22).
What are the key properties of [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate?
[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate has a molecular weight of 383.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate is sourced from PubChem (CID 87317440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).